Insights from the In silico docking study of CHRYSOSPLENOL with TNF-α of Parenchyma of Testes

Introduction: A cytokine that is thought to serve as the primary mediator in the inflammatory process is tumor necrosis factor, also known as (TNF). It is involved in the development of various diseases including stress-induced damages in gonadal organs that may lead to infertility. Men are at risk of infertility for the following reasons: Ageing, smoking, alcohol overconsumption, being overweight or obese, and exposure to toxins. These may cause morphological abnormalities in sperm as a result of the secretory malfunction of the Leydig and Sertoli cells. Research findings show that the number of macrophages and apoptotic germ cells expressing Tumor necrosis factor (TNF) receptor 1 are increased in all kinds of inflammatory changes. Objective: To establish the efficacy of Chrysosplenol, a phytochemical component of Sphaeranthus amaranthoides targeting TNF-α in apoptosis of parenchyma of testes by Molecular docking analysis. Method: Chrysosplenol present in Sphaeranthus amaranthoides is identified. Before docking begins, the three-dimensional model of the TNF-alpha the target ,is extracted from the repository and refined. Potency of the herb is screened based on the binding of the phytochemical with the target on the protein. Results: Chrysosplenol has a high degree of free energy(-5.87 kcal/mol).and three interactions with the target TNF-alpha's core active amino acid residues. Conclusion: Sphaeranthus amaranthoides would possess potent anti-inflammatory action which prevents the gonadal damages thus beneficial in treating infertility.